GD002044

Name:

methyl 7-(acetyloxy)-5-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:

C29H42O14

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)O[C@@H]1C[C@@](C)(OC(C)=O)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@H]12

Aglycone:

C=CC(C)(O)CCC=C(C)C(=O)OC1CC(C)(OC(C)=O)C2C(O)OC=C(C(=O)OC)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2048529
• CNP0143331

AD01987

Formula: C23H32O9

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC1CC(C)(OC(C)=O)C2C(O)OC=C(C(=O)OC)C12

HBA:	9	RingCount:	2
HBD:	2	FractionCSP3:	0.61
AlogP:	1.93	Num_rotatable_bonds:	8
MolWt:	452.5	Num_heavy_atoms:	32
TPSA:	128.59	NumAromaticRings:	0